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application/vnd.openxmlformats-officedocument.presentationml.presentation ![]() | Presentation | Microsoft PowerPoint 2007 |
application/pdf ![]() | Abstract |
Description
Title: | Characterization of ammonia-water clusters by broadband rotational spectroscopy |
Author(s): | Evangelisti, Luca |
Contributor(s): | Pate, Brooks; Shields, George C.; Temelso, Berhane; Perez, Cristobal |
Subject(s): | Clusters/Complexes |
Abstract: | Neon carrier gas at 0.3 MPa of backing pressure is flowed over a room-temperature ammonia hydroxide solution before being expanded into a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer operating between 2 and 8 GHz. A dense spectrum was observed and the investigation allowed unambiguous assignment of the (NH$_{3}$)$_{2}$(H$_{2}$O)$_{n}$ with n=1,2 and NH$_{3}$(H$_{2}$O)$_{n}$ with n=2,3,4,5,6,8 with a signal to noise of at least 3:1. The structures show a cyclic arrangement for clusters with up four monomer and then move to a 3D arrangement. These clusters are of interest because of the different possibilities for hydrogen bond network related to the isolated water clusters. Calculations indicate that there are several possible low-energy isomers, with different levels of theory identifying different isomers as the global minimum. The evidence for the assignment and a discussion of the derived properties for the species are presented. |
Issue Date: | 2016-06-23 |
Publisher: | International Symposium on Molecular Spectroscopy |
Genre: | Conference Paper / Presentation |
Type: | Text |
Language: | En |
URI: | http://hdl.handle.net/2142/91449 |
Rights Information: | Copyright 2016 by the authors |
Date Available in IDEALS: | 2017-01-26 |